| SpectraBase Compound ID | KZDjogtPUmd |
|---|---|
| InChI | InChI=1S/C21H18O5/c22-18-9-8-15-14-16-10-13-25-19(16)21(20(15)26-18)24-12-5-4-11-23-17-6-2-1-3-7-17/h1-3,6-10,13-14H,4-5,11-12H2 |
| InChIKey | FIJVWSMVTCDFJN-UHFFFAOYSA-N |
| Mol Weight | 350.37 g/mol |
| Molecular Formula | C21H18O5 |
| Exact Mass | 350.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EhgNPoB5wab |
|---|---|
| Name | 8-(4-Phenoxybutoxy)psoralen |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.115423675 u |
| Formula | C21H18O5 |
| InChI | InChI=1S/C21H18O5/c22-18-9-8-15-14-16-10-13-25-19(16)21(20(15)26-18)24-12-5-4-11-23-17-6-2-1-3-7-17/h1-3,6-10,13-14H,4-5,11-12H2 |
| InChIKey | FIJVWSMVTCDFJN-UHFFFAOYSA-N |
| Molecular Weight | 350.370 g/mol |
| SMILES | C1(OC=2C(=C3OC=CC3=CC2C=C1)OCCCCOC=1C=CC=CC1)=O |